SCHEMBL2595587

SCHEMBL2595587

COc1cc(CCC(OC(=O)NC(C)(C)C)c2cccc(F)c2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.64
FLT4 P35916 2/20 0.52
RPS6KA3 P51812 2/20 0.52
RPS6KB1 P23443 1/20 0.52
FLT3 P36888 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
DCLK1 O15075 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
RET P07949 1/20 0.51
PHKG2 P15735 1/20 0.51
CDK2 P24941 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2595473 0.93 CHEK1 (0.65) CHEK1FLT4RPS6KA3RPS6KB1FLT3
SCHEMBL2595584 0.82 CHEK1 (0.68) CHEK1
SCHEMBL2596405 0.81 CHEK1 (0.68) CHEK1
Hydrochloric Acid SCHEMBL2589934 0.80 CHEK1 (0.67) CHEK1
SCHEMBL2593302 0.78 CHEK1 (1.00) CHEK1
Hydrochloric Acid SCHEMBL2589919 0.78 CHEK1 (0.98) CHEK1
SCHEMBL14761985 0.76 CHEK1 (0.70) CHEK1FLT4RPS6KA3RPS6KB1FLT3
SCHEMBL2596003 0.76 CHEK1 (1.00) CHEK1
SCHEMBL14965385 0.75 CHEK1 (0.74) CHEK1FLT4RPS6KA3RPS6KB1FLT3
Hydrochloric Acid SCHEMBL2593410 0.75 CHEK1 (0.98) CHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed